Catalytic behavior at the nanoscale: CO adsorption on Al2O 3-supported Pt clusters

Proceedings of SPIE - The International Society for Optical Engineering

Volumn 5223, Issue , 2003, Pages 223-231

  Yourdshahyan, Yashar ^a   Cooper, Valentino R ^a   Kolpak, Alexie M ^a   Rappe, Andrew M ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

Alumina; Catalyst; Chemisorption; Clusters; CO; DFT; Metal; Nanoparticles; Oxide; Platinum; Surfaces

Indexed keywords

ADSORPTION; ALUMINA; CATALYSIS; CRYSTAL ATOMIC STRUCTURE; MATHEMATICAL MODELS; NANOSTRUCTURED MATERIALS; PLATINUM; PROBABILITY DENSITY FUNCTION; THERMAL EFFECTS; THIN FILMS;

CHEMISORPTIONS; CLUSTERS;

CARBON MONOXIDE;

EID: 1842425590     PISSN: 0277786X     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

References (16)

1. M. Neurock and D. Mei, "Effects of alloying Pd and Au on the hydrogenation of ethylene: An ab initio-based dynamic Monte Carlo study," Top. Catal. 20, pp. 5-23, 2002.
2. S. Desai, M. Neurock, and K. Kourtakis, "A periodic density functional theory study of the dehydrogenation of methanol over Pt(111)," J. Phys. Chem. B 106, pp. 2559-2568, 2002.
3. 2O on Cu(111) and Pt(111) from first principles," Surf. Sci. 506, pp. L237-L242, 2002.
4. G. Mills, M. Gordon, and H. Metiu, "The adsorption of molecular oxygen on neutral and negative Au-n clusters (n=2-5)," Chem. Phys. Lett. 359, pp. 493-499, 2002.
5. 2 with gold clusters: Molecular and dissociative adsorption," J. Phys. Chem. A 107, pp. 4066-4071, 2003.
6. J. W. Yoo, D. J. Hatcock, and M. A. El-Sayed, "Propene hydrogenation over truncated octahedral Pt nanoparticles supported on alumina," J. Cat. 214, pp. 1-7, 2003.
7. Z. L. Wang, T. S. Ahmad, and M. A. El-Sayed, "Steps, ledges and kinks on the surfaces of platinum nanoparticles of different shapes," Surf. Sci. 380, pp. 302-310, 1997.
8. A. Bogicevic and D. R. Jennison, "Role of surface vacancies and water products in metal nucleation: Pt/MgO(100)," Surf. Sci. 437, pp. L741-L747, 1999.
9. W. Kohn and L. J. Sham, "Self-consistent equations including exchange and correlation effects," Physical Review 140, pp. A1133-A1138, 1965.
10. D. Vanderbilt, "Soft self-consistent pseudopotentials in a generalized eigenvalue formalism," Phys. Rev. B 41, pp. 7892-7895, 1990.
11. 3," Phys. Rev. B 67, pp. 195412-195430, 2003.
12. 3 (0001) surface structures," Phys. Rev. Let. 84, pp. 3650-3653, 2000.
13. Y. Y. Yeo, L. Vattuone, and D. A. King, "Calorimetric heats for CO and oxygen adsorption and for the catalytic CO oxidation on Pt(111)," J. Chem. Phys. 106, pp. 392-401, 1997.
14. P. J. Feibelman, B. Hammer, J. K. Norskov, F. Wagner, M. Scheffler, R. Stumpf, R. Watwe, and J. Dumesic, "The CO/Pt(111) puzzle," J. Phys. Chem. 105, pp. 4018-4025, 2001.
15. I. Grinberg, Y. Yourdshahyan, and A. M. Rappe, "CO on Pt(111) puzzle: A possible solution." J. Chem. Phys. 117, pp. 2264-2270, 2002.
16. A. Gil, A. Clotet, J. M. Ricart, G. Kresse, M. Garcia-Hernandez, N. Rosch, and P. Sautet, "Site preference CO chemisorbed on Pt(111) from density functional calculations," Surf. Sci. 530, pp. 71-86, 2003.